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	hartrees
Energy at 0K	-492.017841
Energy at 298.15K	-492.021530
HF Energy	-491.542748
Nuclear repulsion energy	93.639639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3430	3299
2	A'	3089	2970
3	A'	2720	2616
4	A'	1642	1579
5	A'	1410	1356
6	A'	1231	1183
7	A'	958	921
8	A'	733	705
9	A'	435	418
10	A"	1063	1022
11	A"	738	710
12	A"	374	359

Atom	x (Å)	y (Å)
N1	1.256	1.037
C2	0.000	0.775
S3	-0.623	-0.877
H4	1.395	2.056
H5	-0.813	1.514
H6	0.600	-1.444

	N1	C2	S3	H4	H5	H6
N1		1.2834	2.6832	1.0280	2.1238	2.5661
C2	1.2834		1.7660	1.8937	1.0989	2.2983
S3	2.6832	1.7660		3.5605	2.3987	1.3485
H4	1.0280	1.8937	3.5605		2.2738	3.5885
H5	2.1238	1.0989	2.3987	2.2738		3.2780
H6	2.5661	2.2983	1.3485	3.5885	3.2780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.469	N1	C2	H5	125.955
C2	N1	H4	109.541	C2	S3	H6	94.152
S3	C2	H5	111.575

All results from a given calculation for NHCHSH (Methanimidothioic acid)

using model chemistry: MP4=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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